| Identification | Back Directory | [Name]
(S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATE | [CAS]
130007-86-2 | [Synonyms]
N-Boc-seco-CBI
(S)-TERT-BUTYL 1-(CHLOROMETHYL)-5-HYDROXY-1H-BENZO[E]INDOLE-3(2H)-CARBOXYLATE
tert-Butyl (S)-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
(S)-tert-Butyl 1-(chloromethyl)-5-hydroxy-1H-benzo[e]indole-3(2H)-carboxylate 95% (HPLC)
3H-Benz[e]indole-3-carboxylic acid, 1-(chloromethyl)-1,2-dihydro-5-hydroxy-, 1,1-dimethylethyl ester, (1S)- | [Molecular Formula]
C18H20ClNO3 | [MDL Number]
MFCD29059844 | [MOL File]
130007-86-2.mol | [Molecular Weight]
333.81 |
| Chemical Properties | Back Directory | [Melting point ]
161 °C (decomp) | [Boiling point ]
493.7±45.0 °C(Predicted) | [density ]
1.275±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C | [form ]
powder | [pka]
9.63±0.40(Predicted) | [Optical Rotation]
[α]/D -89.0, c = 0.05% in chloroform | [InChI]
1S/C18H20ClNO3/c1-18(2,3)23-17(22)20-10-11(9-19)16-13-7-5-4-6-12(13)15(21)8-14(16)20/h4-8,11,21H,9-10H2,1-3H3/t11-/m1/s1 | [InChIKey]
DGPQGWRHSMFTSW-LLVKDONJSA-N | [SMILES]
OC1=C2C(C=CC=C2)=C3C(N(C(OC(C)(C)C)=O)C[C@H]3CCl)=C1 |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS07,GHS09 | [Signal word ]
Warning | [Hazard statements ]
H302-H410 | [Precautionary statements ]
P273-P501 | [RIDADR ]
UN 3077 9 / PGIII | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1 |
| Hazard Information | Back Directory | [Uses]
N-Boc-CBI best used as its seco precursor (seco-N-Boc-CBI) is a simple alkylation subunit analog of that found in the naturally occurring antitumor agents the duocarmycins, yatakemycin, and CC-1065, which act by sequence selective DNA alkylation. |
|
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Bide Pharmatech Ltd.
|
| Telephone: |
400-1647117 13681763483 |
| Website: |
https://www.bidepharm.com/ |
|